N-[2-(2-ethylphenoxy)ethyl]propanamide

C13H19NO2 — CID 113099835

IUPACN-[2-(2-ethylphenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccccc1CC
InChIInChI=1S/C13H19NO2/c1-3-11-7-5-6-8-12(11)16-10-9-14-13(15)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyWLEVIGZBQASFEO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(2-ethylphenoxy)ethyl]propanamide

N-[2-(2-ethylphenoxy)ethyl]propanamide (PubChem CID 113099835) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(2-ethylphenoxy)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethylphenoxy)ethyl]propanamide
PubChem CID113099835
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(2-ethylphenoxy)ethyl]propanamide
SMILESCCC(=O)NCCOc1ccccc1CC
InChIInChI=1S/C13H19NO2/c1-3-11-7-5-6-8-12(11)16-10-9-14-13(15)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15)
InChIKeyWLEVIGZBQASFEO-UHFFFAOYSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-[2-(2-ethylphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112971672
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
N-[2-(2-ethylphenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 113099864
N-[2-(2,4-difluorophenoxy)ethyl]propanamide
CID 113102310

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylphenoxy)ethyl]propanamide?
The IUPAC name of N-[2-(2-ethylphenoxy)ethyl]propanamide (CID 113099835) is N-[2-(2-ethylphenoxy)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-ethylphenoxy)ethyl]propanamide?
The canonical SMILES for N-[2-(2-ethylphenoxy)ethyl]propanamide is CCC(=O)NCCOc1ccccc1CC.
What is the InChIKey of N-[2-(2-ethylphenoxy)ethyl]propanamide?
The InChIKey is WLEVIGZBQASFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-7-5-6-8-12(11)16-10-9-14-13(15)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-ethylphenoxy)ethyl]propanamide?
N-[2-(2-ethylphenoxy)ethyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylphenoxy)ethyl]propanamide is sourced from PubChem (CID 113099835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).